CID 3061156

2,3-dihydro-9-methyl-5h,10bh-thiazolo(3,2-c)(1,3)benzoxazine-5-thione

Structural Information

Molecular Formula
C11H11NOS2
SMILES
CC1=CC2=C(C=C1)OC(=S)N3C2SCC3
InChI
InChI=1S/C11H11NOS2/c1-7-2-3-9-8(6-7)10-12(4-5-15-10)11(14)13-9/h2-3,6,10H,4-5H2,1H3
InChIKey
YMXWOXPPMDKDDZ-UHFFFAOYSA-N
Compound name
9-methyl-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.02821 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03549 145.4
[M+Na]+ 260.01743 155.8
[M-H]- 236.02093 150.1
[M+NH4]+ 255.06203 166.0
[M+K]+ 275.99137 152.2
[M+H-H2O]+ 220.02547 141.2
[M+HCOO]- 282.02641 153.9
[M+CH3COO]- 296.04206 158.1
[M+Na-2H]- 258.00288 147.5
[M]+ 237.02766 147.1
[M]- 237.02876 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe